0 B9R0.46 C=CC(=O)OCCCCCl AC5628 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.46 C=C[C@@H](O)CCCCCC D91710 [0,0,0,0,0,0|0,0,4]=4 2 B9R0.46 CCCCCCC(=O)CC D91660 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.46 CCCCCC[C@@H](O)CC D91682 [0,0,0,0,0,0|0,0,2]=2 4 B9R0.46 CC[C@H](C)CCCCCO C74966 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.46 COC(=O)COCCCBr AC2376 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.4 C#CCCCCCCC D91672 [1,0,0,0,0,0|0,0,3]=4 7 B8R0.4 C=CCCCCCCC D91747 [1,0,0,0,0,0|0,0,3]=4 8 B8R0.4 CCCCCC#CCBr D94830 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.4 CCCCCC#CCCl D89416 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.4 CCCCCC#CCO D91880 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.4 CCCCCCCSC D90918 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.4 CCCCCCN=C=O D91170 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.4 CCCCCC\C=C\I AT25372 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.4 CCCCOCCCN 29096 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.4 CCCC[SnH4+2]CCCC D90069 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.4 CCC\C=C/CCCC D91694 [1,0,0,0,0,0|0,0,3]=4 17 B8R0.4 CCC\C=C\CCCC D91695 [1,0,0,0,0,0|0,0,3]=4 18 B8R0.4 CC\C=C/CCCCO D91845 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.4 COCCCCCOC D90119 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.4 C\C=C\CCCCCC D91716 [1,0,0,0,0,0|0,0,1]=2 21 B8R0.4 ClCCCCCCCBr D89022 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.6 CCCCC[C@@H](C)CC T72102 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.6 CCCCC[C@H](O)CO D90979 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.6 CCCCOC(=O)CCl D89195 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.6 CCCCOC(=O)CF D90645 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.6 CCCSCC(=O)OC 35926 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.6 COCCOC(=O)CCl D89396 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.7 C=CCCCOC(C)=O D88422 [1,0,0,0,0,0|1,0,2]=4 29 B8R0.7 CC(=O)NCCCCN H12005 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.7 CCCCCCC(C)C D91311 [1,0,0,0,0,0|1,0,1]=3 31 B8R0.7 CCCCCC[C@H](C)N A12762 [1,0,0,0,0,0|1,0,1]=3 32 B8R0.7 CCCCCO[N+](=O)[O-] D88263 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.7 CCCC\C=C\C(C)=O D91847 [1,0,0,0,0,0|0,0,2]=3 34 B8R0.7 CCC\C=C/CC(=O)O D90865 [1,0,0,0,0,0|1,0,2]=4 35 B8R0.7 NCCCNCC(=O)O D88391 [1,0,0,0,0,0|3,0,0]=4 36 B10R0.1 C=CCCCCC(=O)OCC D86379 [0,1,0,0,0,0|0,0,2]=3 37 B10R0.1 C=CCNCCC(=O)OCC 92547 [0,1,0,0,0,0|1,0,2]=4 38 B10R0.1 CCCCCCC(=O)CCC D89875 [0,1,0,0,0,0|0,0,0]=1 39 B10R0.1 CCCCCC[C@@H](O)CCC D89845 [0,1,0,0,0,0|0,0,2]=3 40 B10R0.41 CCN(CC)CCCCCO D90342 [0,1,0,0,0,0|3,0,0]=4 41 B10R0.74 C=CC(=O)OCCCCCC H12008 [0,1,0,0,0,0|0,0,2]=3 42 B10R0.74 CCCCCCCC(=O)CC D89798 [0,1,0,0,0,0|0,0,0]=1 43 B10R0.74 CCCCCCC[C@@H](O)CC D89804 [0,1,0,0,0,0|0,0,2]=3 44 B10R0.74 CCCCC\C=C\C(=O)OC D91565 [0,1,0,0,0,0|1,0,1]=3 45 B10R0.74 CCC\C=C\COC(=O)CC D92035 [0,1,0,0,0,0|0,0,2]=3 46 B10R0.75 CCOCCOC(=O)C(C)C D91115 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.1 CCNC1CCN(C)CC1 38280 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.15 CCC(=O)N1CCNCC1 F21173 [0,0,0,1,0,0|2,0,0]=3 49 B10R1.15 COC(=O)N1CCCCC1 64308 [0,0,0,1,0,0|2,0,0]=3 50 B10R1.15 COC(=O)[C@@H]1CC=CCC1 AT23734 [0,0,0,1,0,0|1,0,2]=4 51 B10R1.15 COC(=O)[C@@H]1CCCCN1 25044 [0,0,0,1,0,0|2,0,0]=3 52 B10R1.15 COC(=O)[C@@H]1CNCCO1 36257 [0,0,0,1,0,0|3,0,0]=4 53 B10R1.15 COC(=O)[C@@H]1CNCCO1 D88036 [0,0,0,1,0,0|3,0,0]=4 54 B10R1.27 COC(=O)C[C@H]1CCNC1 AT16117 [0,0,0,1,0,0|2,0,0]=3 55 B10R1.149 COC(=O)C1CCCC1O S10371 [0,0,0,1,0,0|2,0,0]=3 56 B7R0.1 C#CCCCCCC F10502 [2,0,0,0,0,0|0,0,2]=4 57 B7R0.1 C=CCCCCCC D91846 [2,0,0,0,0,0|0,0,1]=3 58 B7R0.1 CC#CCCCCC D91805 [2,0,0,0,0,0|0,0,2]=4 59 B7R0.1 CCC#CCCCC D91806 [2,0,0,0,0,0|0,0,2]=4 60 B7R0.1 CCCC#CCCC D91807 [2,0,0,0,0,0|0,0,2]=4 61 B7R0.1 CCCCCCC#N D90969 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.1 CCCCCCCC A10542 [2,0,0,0,0,0|0,0,0]=2 63 B7R0.1 CCCCCCCN F17097 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.1 CCCCCCOC D90977 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.1 CCCCCON=O D88264 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.1 CCCCNCCN A10255 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.1 CCCCSCCO T71016 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.1 CCCC\C=C\CO D90932 [2,0,0,0,0,0|1,0,1]=4 69 B7R0.1 CCCNCCOC D91418 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.1 CCCOCCCN D92070 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.1 CCC\C=C/CCC D91812 [2,0,0,0,0,0|0,0,2]=4 72 B7R0.1 CCC\C=C\CCC D91813 [2,0,0,0,0,0|0,0,2]=4 73 B7R0.1 CCNCCCCO D90525 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.1 CCNCCNCC F15441 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.1 CC\C=C/CCCC T71802 [2,0,0,0,0,0|0,0,1]=3 76 B7R0.1 CC\C=C/CCCO D90956 [2,0,0,0,0,0|1,0,1]=4 77 B7R0.1 CC\C=C\CCC=O D90892 [2,0,0,0,0,0|0,0,2]=4 78 B7R0.1 CC\C=C\CCCC D91811 [2,0,0,0,0,0|0,0,1]=3 79 B7R0.1 CNCCCCOC AT13062 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.1 C\C=C\CCCCC D91810 [2,0,0,0,0,0|0,0,1]=3 81 B7R0.3 C=C(CC)CCCC D90439 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.3 CCC(=O)NCCO D90897 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.3 CCCC[C@@H](Br)CC D88770 [2,0,0,0,0,0|1,0,1]=4 84 B7R0.3 CCCC[C@@H](C)CC D91318 [2,0,0,0,0,0|1,0,1]=4 85 B7R0.3 CCCNC(=O)CCl D95642 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.3 CCCOC(=O)CN 77506 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.3 CCC\C=C(/C)CC D91421 [2,0,0,0,0,0|1,0,1]=4 88 B7R0.4 C=C(C)CCCCC D91350 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.4 CC(=O)NCCCO W12709 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.4 CCCCCC(C)C D91346 [2,0,0,0,0,0|1,0,1]=4 91 B7R0.4 CCCCC[C@H](C)Cl D89310 [2,0,0,0,0,0|1,0,1]=4 92 B7R0.4 CCCCC[C@H](C)N E70476 [2,0,0,0,0,0|1,0,1]=4 93 B7R0.4 CCCCC[C@H](C)O D97162 [2,0,0,0,0,0|0,0,2]=4 94 B7R0.4 CCOCCC(=O)O F11739 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.4 CCOCCC(C)=O D90475 [2,0,0,0,0,0|1,0,0]=3 96 B7R0.4 NCCCCC(=O)O T70410 [2,0,0,0,0,0|2,0,0]=4 97 B7R0.4 O=C(O)CCCCO C72352 [2,0,0,0,0,0|2,0,0]=4 98 B9R0.2 CCCCCCCC(C)C D91304 [1,1,0,0,0,0|0,0,1]=3 99 B9R0.2 CCCCCCC[C@H](C)O D97855 [1,1,0,0,0,0|0,0,1]=3 100 B9R0.2 CCCCC\C=C\C(C)=O D91739 [1,1,0,0,0,0|0,0,2]=4 101 B9R0.5 CCCCCC(=O)CCC D91706 [1,1,0,0,0,0|0,0,2]=4 102 B9R0.5 CCCCC[C@@H](O)CCC D91683 [1,1,0,0,0,0|0,0,1]=3 103 B9R0.18 CCCCS(=O)CCCC D89802 [1,1,0,0,0,0|1,0,1]=4 104 B9R0.18 CCOCC(O)COCC D87788 [1,1,0,0,0,0|2,0,0]=4 105 B9R0.45 CCCC#CCCCCC D89808 [1,1,0,0,0,0|0,0,2]=4 106 B9R0.45 CCCCCC#CCCO D91697 [1,1,0,0,0,0|0,0,2]=4 107 B9R0.45 CCCCCCC#CCO D91780 [1,1,0,0,0,0|0,0,2]=4 108 B9R0.45 CCCCCCCCCC S11595 [1,1,0,0,0,0|0,0,1]=3 109 B9R0.45 CCCCCCCCCCl D89217 [1,1,0,0,0,0|0,0,1]=3 110 B9R0.45 CCCCCCCCCN D91670 [1,1,0,0,0,0|0,0,1]=3 111 B9R0.45 CCCCCCCCSC D91326 [1,1,0,0,0,0|0,0,1]=3 112 B9R0.45 CCCCCC\C=C\CO D91737 [1,1,0,0,0,0|0,0,1]=3 113 B9R0.45 CCCCC\C=C/CCO D91738 [1,1,0,0,0,0|0,0,1]=3 114 B9R0.45 CCCC\C=C/CCCC T71292 [1,1,0,0,0,0|0,0,2]=4 115 B9R0.8 COC(=O)[C@@H](N)CCSC F10668 [1,1,0,0,0,0|2,0,0]=4 116 B9R0.20 CCCCCC(C)(C)CC D89812 [1,1,0,0,0,0|1,0,1]=4 117 B9R0.47 CCCCC[C@H](O)C(C)C D91351 [1,1,0,0,0,0|0,0,2]=4 118 B9R0.47 CCCCOC(=O)[C@H](C)Br D88736 [1,1,0,0,0,0|1,0,0]=3 119 B9R0.4 CCCOC(=O)CC(C)=O D88333 [1,1,0,0,0,0|1,0,1]=4 120 B9R0.38 CCCCCCP(=O)(O)O T72503 [1,1,0,0,0,0|2,0,0]=4 121 B9R0.38 CCCCCC[Si](C)(Cl)Cl D90963 [1,1,0,0,0,0|1,1,0]=4 122 B9R0.48 CCC[C@H](C)CCC(C)=O D91303 [1,1,0,0,0,0|0,0,0]=2 123 B9R0.48 CCC[C@H](Cl)CCC(=O)Cl AC2948 [1,1,0,0,0,0|1,0,0]=3 124 B9R0.55 CC(=O)CCOCC(C)C D91117 [1,1,0,0,0,0|1,0,0]=3 125 B11R0.4 CCCCCCCC(=O)CCC D92758 [0,2,0,0,0,0|0,0,0]=2 126 B11R0.4 CCCCCCC[C@@H](O)CCC T72465 [0,2,0,0,0,0|0,0,2]=4 127 B11R0.4 CCC\C=C\COC(=O)CCC D88749 [0,2,0,0,0,0|0,0,2]=4 128 B11R0.5 CCOC(=O)CC(=O)CCOC D88169 [0,2,0,0,0,0|1,0,1]=4 129 B11R0.81 CCCCCCC(=O)CCCC D92759 [0,2,0,0,0,0|0,0,0]=2 130 B11R0.81 CCCCCC[C@@H](O)CCCC D92757 [0,2,0,0,0,0|0,0,2]=4 131 B11R0.40 CCCCCCCCC(=O)CC D92753 [0,2,0,0,0,0|0,0,0]=2 132 B11R0.42 C=C(C)C(=O)OCCCCCC D97858 [0,2,0,0,0,0|0,0,1]=3 133 B11R0.151 CC(C)(C)C(=O)OCCCCI 31911 [0,2,0,0,0,0|2,0,0]=4 134 B9R1.8 CCCC1CCCCC1 D91999 [1,0,0,1,0,0|0,0,1]=3 135 B9R1.8 CCC[C@H]1CCCCN1 F16896 [1,0,0,1,0,0|1,0,1]=4 136 B9R1.8 CCO[C@H]1CCCNC1 61512 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.89 NCC1CCCCCC1 C10073 [1,0,0,1,0,0|1,0,1]=4 138 B9R1.1 CCC1CCC(C)CC1 T72381 [1,0,0,1,0,0|1,0,1]=4 139 B9R1.1 CCC1CCC(N)CC1 AT14233 [1,0,0,1,0,0|1,0,1]=4 140 B9R1.1 CNC1CCC(=O)CC1 25123 [1,0,0,1,0,0|1,0,0]=3 141 B9R1.2 CCC1CCCC(C)C1 D90512 [1,0,0,1,0,0|1,0,1]=4 142 B9R1.3 C[C@H]1CNCC(=O)N1C C91374 [1,0,0,1,0,0|2,0,0]=4 143 B9R1.11 CNC(=O)C1CCCC1 D76478 [1,0,0,1,0,0|1,0,0]=3 144 B9R1.49 CN1CCCC(=O)CC1 25775 [1,0,0,1,0,0|1,0,0]=3 145 B9R1.6 O=C([O-])C1CCCCC1 D91685 [1,0,0,1,0,0|1,0,0]=3 146 B9R1.13 CC(=O)N[C@H]1CCNC1 D75567 [1,0,0,1,0,0|2,0,0]=4 147 B9R1.13 O=C(Cl)CC1CCCC1 F11901 [1,0,0,1,0,0|1,0,0]=3 148 B9R1.41 CN1CCC[C@H]1C(=O)O 89054 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.148 CC1(N)CCCCCC1 E72834 [1,0,0,1,0,0|1,0,1]=4 150 B11R1.16 CCC[C@H](O)C1CCCCC1 D89431 [0,1,0,1,0,0|0,0,2]=4 151 B11R1.16 CCOC(=O)[C@@H]1CC=CCC1 D89336 [0,1,0,1,0,0|0,0,2]=4 152 B11R1.16 CCOC(=O)[C@@H]1COCCN1 77676 [0,1,0,1,0,0|2,0,0]=4 153 B11R1.16 N#CCC(=O)C1CCCCC1 84147 [0,1,0,1,0,0|0,0,1]=3 154 B11R1.16 NCCC(=O)N1CCCCC1 F21072 [0,1,0,1,0,0|1,0,0]=3 155 B11R1.16 NCCC(=O)N1CCOCC1 C77971 [0,1,0,1,0,0|2,0,0]=4 156 B11R1.24 NCCCN1CCNC(=O)C1 AT13747 [0,1,0,1,0,0|2,0,0]=4 157 B11R1.30 CCOC(=O)C[C@H]1CCCO1 F52125 [0,1,0,1,0,0|1,0,0]=3 158 B11R1.180 CCCCCC1=CCCC1=O D84134 [0,1,0,1,0,0|0,0,1]=3 159 B11R1.230 CCCCC1OC(=O)CC1C D91607 [0,1,0,1,0,0|1,0,0]=3 160 B11R1.40 CCC(=O)OC1CCCCC1 D91966 [0,1,0,1,0,0|0,0,0]=2 161 B11R1.40 COC(=O)NC1CCNCC1 AT23019 [0,1,0,1,0,0|2,0,0]=4 162 B11R1.40 NCC(=O)NC1CCCCC1 20166 [0,1,0,1,0,0|1,0,0]=3 163 B11R1.222 CCN(C)[C@H]1CCCC[C@@H]1O V10247 [0,1,0,1,0,0|2,0,0]=4 164 B11R1.83 CCCN1CCC(=NO)CC1 V10222 [0,1,0,1,0,0|1,0,1]=4 165 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 AT18844 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.22 CNC(=O)[C@H]1CC[C@H](N)CC1 D77387 [0,1,0,1,0,0|1,0,0]=3 167 B11R1.22 COC(=O)C1CCC(C)NC1 CS1674 [0,1,0,1,0,0|2,0,0]=4 168 B11R1.22 COC(=O)N1CCC(O)CC1 D75116 [0,1,0,1,0,0|2,0,0]=4 169 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 V10028 [0,1,0,1,0,0|1,0,0]=3 170 B11R1.1 CCCCC1CCC(N)CC1 D89044 [0,1,0,1,0,0|1,0,1]=4 171 B11R1.1 CCCNC1CCN(C)CC1 V10045 [0,1,0,1,0,0|2,0,0]=4 172 B11R1.558 O=C1C(Cl)CCCCCC1Cl T70064 [0,1,0,1,0,0|1,0,0]=3 173 B11R1.878 COC(=O)[C@@]1(C)CCCNC1 32764 [0,1,0,1,0,0|2,0,0]=4 174 B11R2.40 NC1(C2CCCCC2)CC1 C90106 [0,0,0,2,0,0|1,0,1]=4